1,3,5-Triisopropylbenzene (HCID 12860)

概要

structure in first source

名称と識別子

優先名称: 1,3,5-Triisopropylbenzene
IUPAC: 1,3,5-tri(propan-2-yl)benzene
現地名: 1,3,5-トリイソプロピルベンゼン
英語名: 1,3,5-Triisopropylbenzene
分子式: C15H24
分子量: 204.35

名称と別名

1,3,5-TRIISOPROPYLBENZENE717-74-82,4,6-TriisopropylbenzeneBenzene, 1,3,5-tris(1-methylethyl)-Benzene, 1,3,5-triisopropyl-DTXSID40412321,3,5-tris(1-methylethyl)benzeneFR9Y346WPBNSC-403075DTXCID2021232RefChem:906831211-941-3

名称をさらに表示

1,3,5-トリイソプロピルベンゼン2,4,6-トリイソプロピルベンゼン1,3,5-トリ(1-メチルエチル)ベンゼン1,3,5-トリス(1-メチルエチル)ベンゼン1，3，5トリイソプロピルベンゼン1,3,5‐トリイソプロピルベンゼン1,3,5-TriisopropyLbenzene,1,3,5-tris(1-methylethyl)-1,3,5-Triisopropylbenzol1,3,5-Tri-i-propylbenzene1,3,5-Tris(isopropyl)benzene1,3,5-Triisopropylbenzene,95%1,3,5-Triisopropylbenzene 95%

1,3,5-tri(propan-2-yl)benzene1,3,5-tris(propan-2-yl)benzeneMFCD0000889027322-34-5UNII-FR9Y346WPBEINECS 211-941-3NSC403075NSC 403075

データベース識別子

CAS: 27322-34-5、717-74-8
PubChem CID: 12860
DTXSID: DTXSID4041232
ChEMBL: CHEMBL3187859
UNII: FR9Y346WPB
EC Number: 211-941-3
Nikkaji: J540A

物性

構造計算による物性

XLogP: 5.3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 133

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesDensity

Vapor Pressure0.02 [mmHg]

Physical Description · 2 件

Liquid

Clear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -14 · -14--11°C
沸点: 232 · 232-236 °C (lit.)
比重(密度): 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
蒸気圧: 0.91 Pa · 0.91Pa at 25℃
屈折率: 20 · n20/D 1.488(lit.)
闪点: 188 °F · 188 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: 液体
比重: 0.845 · 0.845
色: 無色透明
水溶解度: 水と混和しない。
BRN: 1862750 · 1862750
Henry's Law Constant: 2.5 · 2.5×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
InChIKey: VUMCUSHVMYIRMB-UHFFFAOYSA-N
SMILES: CC(C)c1cc(cc(c1)C(C)C)C(C)C
LogP: 6.68 at · 6.68 at 24℃
CAS データベース: 717 · 717-74-8(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1,3,5-tris(1-methylethyl)-(717-74-8)
EPAの化学物質情報: 1 · 1,3,5-Triisopropylbenzene (717-74-8)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 10.2% (13 of 128) of reports.

Danger

H304 (57.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P273, P301+P316, P331, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 128 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Benzene, 1,3,5-tris(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3,5-tris(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24840

1,3,5-Triisopropylbenzene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAsp. Tox. 1 (57.8%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: NA1993
hs_code: 29029080
化審法: (3)-22, (3)-3427
消防法: 危-4-3-III
safety_code: 23-24/25
hazard_class: CBL
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as an intermediate; [ExPub: ECHA REACH Registrations]

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 3 件

All Other Basic Organic Chemical Manufacturing

Benzene, 1,3,5-tris(1-methylethyl)-: ACTIVE

Benzene, tris(1-methylethyl)-: ACTIVE

応用分野 · 2 件

説明1,3,5-Triisopropylbenzene is a versatile compound that has several applications in various industries. It is commonly used as a fuel and fuel additive, as well as in lubricants and lubricant additives. Additionally, it is utilized in the production of 2,4,6-triisopropyl-benzenesulfonyl chloride. This compound is also effective as a swelling agent in the synthesis of mesoporous silica with hexagonal pores. Furthermore, it serves as a micelle expander in the creation of magnetic mesoporous silica nanoparticles.

使用1,3,5-Triisopropylbenzene can be usually used as swelling agent during the synthesis of mesoporous silicas with two-dimensional hexagonal pores,also used as micelle expander in the synthesis of highly ordered mesoporous SBA-15 silica and magnetic mesoporous silica nanoparticles.

上流・下流製品情報

上流原料

2-ブロモプロパン塩化ナトリウム塩化アルミニウム(III)ジエチルエーテル (無水)ベンゼン酢酸エチルジクロロメタン硫酸マグネシウム (無水)1,2,4-トリイソプロピルベンゼン 3-メチル-1-トリメチルシリル-1-ブチン 2,4,6-トリブロモヨードベンゼン 2,4,6-トリイソプロピルフェニルボロン酸

下流製品

2-ジシクロヘキシルホスフィノ-2',4',6'-トリイソプロピルビフェニル 2,4,6-トリイソプロピルベンゼンスルホニルクロリドヨードメシチレンジアセタートクメン Benzene, 1,3,5-tris(1-methylethyl)-2-nitro-

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

1,3,5-トリイソプロピルベンゼン

基本情報

概要